SCHEMBL6784869

SCHEMBL6784869

COC(=O)[C@@H](N)Cc1c[nH]c2ccc(C)cc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 2/20 0.57
SCN9A Q15858 2/20 0.54
HTR2A P28223 4/20 0.54
HTR1A P08908 3/20 0.54
HTR2C P28335 3/20 0.54
HTR2B P41595 3/20 0.54
KMT2A Q03164 3/20 0.54
MAPT P10636 3/20 0.54
KDM4E B2RXH2 2/20 0.54
LMNA P02545 2/20 0.54
TSHR P16473 2/20 0.54
NFKB1 P19838 2/20 0.54
BLM P54132 2/20 0.54
PMP22 Q01453 2/20 0.54
ALDH1A1 P00352 1/20 0.54
CYP3A4 P08684 1/20 0.54
ADORA3 P0DMS8 1/20 0.54
ALOX15 P16050 1/20 0.54
SLC6A4 P31645 1/20 0.54
HTR7 P34969 1/20 0.54

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1196826 1.00 TACR1 (0.57) TACR1SCN9AHTR2AHTR1AHTR2C
Hydrochloric Acid SCHEMBL28173714 0.99 TACR1 (0.56) TACR1SCN9AHTR2AHTR1AHTR2C
Hydrochloric Acid SCHEMBL28173713 0.99 TACR1 (0.56) TACR1SCN9AHTR2AHTR1AHTR2C
SCHEMBL24113523 0.90 TACR1 (0.57) TACR1SCN9AHTR2AHTR1AHTR2C
SCHEMBL30310544 0.90 TACR1 (0.57) TACR1SCN9AHTR2AHTR1AHTR2C
SCHEMBL1196763 0.90 TACR1 (0.57) TACR1SCN9AHTR2AHTR1AHTR2C
SCHEMBL5116327 0.87 HTR2A (0.54) TACR1SCN9AHTR2AHTR1AHTR2C
SCHEMBL471920 0.87 NPSR1 (0.72) TACR1SCN9AHTR2AHTR1AHTR2C
SCHEMBL6775810 0.87 NPSR1 (0.72) TACR1SCN9AHTR2AHTR1AHTR2C
SCHEMBL5116320 0.87 HTR2A (0.54) TACR1SCN9AHTR2AHTR1AHTR2C

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116685576-A Cysteine protease inhibitors and methods of use thereof 美商帕迪斯生物科学公司 2023-09-01 CN disclosed
US-20230212152-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. 2023-07-06 US disclosed
US-20230212152-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. 2023-07-06 US disclosed
EP-4161902-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. (US) 2023-04-12 EP disclosed
CN-113402438-A Preparation method of tryptophan derivative medical intermediate 浙江工业大学 2021-09-17 CN disclosed
CN-101037437-A Flazin analog and preparation method and application thereof KUNMING INST BOTANY CN ACAD (CN) 2007-09-19 CN disclosed
CN-1970559-A Beta-carboline alkaloid, their preparation method and use KUNMING INST BOTANY CN ACAD (CN) 2007-05-30 CN disclosed
US-6784179-B2 treating a vascular disease by administering e.g. tadalafil in combination with an endothelium-derived relaxing factor, an atrial natriuretic factor, a brain natriuretic peptide, a C-type natriuretic peptide, or an endothelium-dependent relaxing agent such as serotonin ICOS CORPORATION 2004-08-31 US disclosed
US-20020119976-A1 Tetracyclic derivatives, process of preparation and use ICOS CORPORATION 2002-08-29 US disclosed
US-6369059-B1 INHIBITOR OF CYCLIC GUANOSINE 3',5'-MONOPHOSPHATE SPECIFIC PHOSPHODIESTERASE (CGMP SPECIFIC PDE); CARDIOVASCULAR DISORDERS; PYRAZINO(2',1':6,1)PYRIDO(3,4-B)INDOLE-1,4-DIONES ICOS CORPORATION 2002-04-09 US disclosed
US-6143746-A Combination of tadalafil and another drug for cGMP-specific PDE inhibition; erectile dysfunction, cardiovascular disorders ICOS CORPORATION (US) 2000-11-07 US disclosed
US-6127542-A CHEMICAL INTERMEDIATES TO SPECIFIED PYRAZINO(2',1':6,1)PYRIDO(3,4B)INDOLE-1,4-DIONES WHICH ARE SELECTIVE INHIBITORS OF CYCLIC GUANOSINE 3',5'-MONOPHOSPHATE SPECIFIC PHOSPHODIESTERASE; TO TREAT CARDIOVASCULAR DISORDERS ICOS CORPORATION (US) 2000-10-03 US disclosed
US-6025494-A CYCLIZATION OF DICARBONYL-SUBSTITUTED PYRIDOINDOLES YIELDS PHOSPHODIESTERASE INHIBITORS ICOS CORPORATION (US) 2000-02-15 US disclosed
CN-1045777-C Tetracyclic derivatives, preparation method and use ACOS INC (US) 1999-10-20 CN disclosed
CN-1224720-A Tetracylic derivatives, process of preparation and use ICOS CORP (US) 1999-08-04 CN disclosed
US-5859006-A CYCLIZATION; AMIDATION; SELECTIVE INHIBITOR OF CYCLIC GUANOSINE 3',5'-MONOPHOSPHATASE SPECIFIC PHOSPHODIESTERASE; USEFUL IN THE TREATMENT OF CARDIOVASCULAR DISORDERS; TADALAFIL CLAIMED ICOS CORPORATION (US) 1999-01-12 US disclosed
EP-0740668-B1 TETRACYCLIC DERIVATIVES, PROCESS OF PREPARATION AND USE ICOS CORP (US) 1998-07-29 EP disclosed
CN-1143963-A Tetracyclic derivatives, preparation method and use GLAXO LAB SA (FR) 1997-02-26 CN disclosed
EP-0740668-A1 TETRACYCLIC DERIVATIVES, PROCESS OF PREPARATION AND USE LABORATORIES GLAXO WELLCOME S.A. (FR) 1996-11-06 EP disclosed
WO-1995019978-A1 TETRACYCLIC DERIVATIVES, PROCESS OF PREPARATION AND USE LABORATOIRES GLAXO WELLCOME S.A. (FR) 1995-07-27 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20020119976-A1 Tetracyclic derivatives, process of preparation and use PDE3A, PDE3B, PDE2A TACR1 976/4885SCN9A 569/4885HTR2A 2985/4885
US-20230212152-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF CTRL, CTSL, CTSV TACR1 3506/4885SCN9A 3898/4885HTR2A 3835/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.